Nd2Dy2Er2Al
Alexandria ALEXAlex-ID: agm017142437 · 空间群: I4/mmm (#139)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2D2_117_spg119
Nd3Dy5 Er2Al Nd
2025-06-08 19:53:20
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017142437).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
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# CIF generated by HEAS from Alexandria entry agm017142437
data_agm017142437
_cell_length_a 16.91843
_cell_length_b 16.91843
_cell_length_c 16.91843
_cell_angle_alpha 167.96489
_cell_angle_beta 167.96489
_cell_angle_gamma 17.05180
_cell_volume 210.52879
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Nd1 Nd 0.36431 0.36431 0.00000 1.00000
Nd2 Nd 0.63569 0.63569 0.00000 1.00000
Dy1 Dy 0.05698 0.05698 0.00000 1.00000
Dy2 Dy 0.94302 0.94302 0.00000 1.00000
Er1 Er 0.21328 0.21328 0.00000 1.00000
Er2 Er 0.78672 0.78672 0.00000 1.00000
Al1 Al 0.50000 0.50000 0.00000 1.00000
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